Information card for entry 7708424

Structure parameters

• Formula: C60 H74 Cl4 F12 Fe2 N6 O2 P2 Pd2 Sb2
• Calculated formula: C60 H74 Cl4 F12 Fe2 N6 O2 P2 Pd2 Sb2
• Title of publication: The protonation state governs the coordination of phosphinoferrocene guanidines
• Authors of publication: Ondrej, Barta; Cisarova, Ivana; Štěpnička, Petr
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 12.9629 ± 0.0005 Å
• b: 15.5152 ± 0.0007 Å
• c: 17.6064 ± 0.0008 Å
• α: 90°
• β: 95.763 ± 0.002°
• γ: 90°
• Cell volume: 3523.1 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 10
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No